input word = C00006714

Metabolite InformationStructural formula
Name Vincanin A
Formula C33H41O20
Mw 757.21911875
CAS RN 68600-14-6
C_ID C00006714 ,
InChIKey FKFABTFUSKHNFQ-JTIMQXMENA-O
InChICode InChI=1S/C33H40O20/c1-9-20(37)24(41)27(44)31(48-9)47-8-19-23(40)26(43)29(46)33(53-19)52-18-7-13-16(50-30(18)11-3-14(35)22(39)15(36)4-11)5-12(34)6-17(13)51-32-28(45)25(42)21(38)10(2)49-32/h3-7,9-10,19-21,23-29,31-33,37-38,40-46H,8H2,1-2H3,(H3-,34,35,36,39)/p+1/t9-,10+,19+,20-,21-,23-,24-,25-,26-,27-,28+,29+,31+,32-,33+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)C(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeVinca major Ref.
zoom in